2-(carbamoylamino)-5-[2-[2-(1-methoxyethoxy)ethoxy]phenyl]-1H-pyrrole-3-carboxamide

C17H22N4O5 — CID 67314576

IUPAC2-(carbamoylamino)-5-[2-[2-(1-methoxyethoxy)ethoxy]phenyl]-1H-pyrrole-3-carboxamide
SMILESCOC(C)OCCOc1ccccc1-c1cc(C(N)=O)c(NC(N)=O)[nH]1
InChIInChI=1S/C17H22N4O5/c1-10(24-2)25-7-8-26-14-6-4-3-5-11(14)13-9-12(15(18)22)16(20-13)21-17(19)23/h3-6,9-10,20H,7-8H2,1-2H3,(H2,18,22)(H3,19,21,23)
InChIKeyQOUYTCZBRRNSQH-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.66
Rot. Bonds9

About 2-(carbamoylamino)-5-[2-[2-(1-methoxyethoxy)ethoxy]phenyl]-1H-pyrrole-3-carboxamide

2-(carbamoylamino)-5-[2-[2-(1-methoxyethoxy)ethoxy]phenyl]-1H-pyrrole-3-carboxamide (PubChem CID 67314576) has the molecular formula C17H22N4O5 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[2-[2-(1-methoxyethoxy)ethoxy]phenyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[2-[2-(1-methoxyethoxy)ethoxy]phenyl]-1H-pyrrole-3-carboxamide
PubChem CID67314576
Molecular FormulaC17H22N4O5
Molecular Weight362.39 g/mol
Exact Mass362.16
IUPAC Name2-(carbamoylamino)-5-[2-[2-(1-methoxyethoxy)ethoxy]phenyl]-1H-pyrrole-3-carboxamide
SMILESCOC(C)OCCOc1ccccc1-c1cc(C(N)=O)c(NC(N)=O)[nH]1
InChIInChI=1S/C17H22N4O5/c1-10(24-2)25-7-8-26-14-6-4-3-5-11(14)13-9-12(15(18)22)16(20-13)21-17(19)23/h3-6,9-10,20H,7-8H2,1-2H3,(H2,18,22)(H3,19,21,23)
InChIKeyQOUYTCZBRRNSQH-UHFFFAOYSA-N
XLogP1.66
TPSA141.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(carbamoylamino)-5-(2-propoxyphenyl)-1H-pyrrole-3-carboxamide
CID 25007212
ethyl 4-[2-[4-carbamoyl-5-(carbamoylamino)-1H-pyrrol-2-yl]phenoxy]butanoate
CID 59285985
2-(carbamoylamino)-5-(2-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide
CID 59285855
2-(carbamoylamino)-5-[2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1H-pyrrole-3-carboxamide
CID 25002560
2-(carbamoylamino)-5-[2-(1-pyrrolidin-1-ylpropoxy)phenyl]-1H-pyrrole-3-carboxamide
CID 69008761
formamide;2-(methylamino)-5-[2-(2-morpholin-4-ylethoxy)phenyl]-1H-pyrrole-3-carboxamide
CID 145464614
tert-butyl 2-[2-(1-methoxyethoxy)ethoxy]benzoate
CID 59950369
2-(carbamoylamino)-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide
CID 25005711
2-(2-butoxyphenyl)benzamide
CID 174985404
1-[2-(1-methoxyethoxy)ethoxy]-2-phenylmethoxybenzene
CID 20729029
2-(carbamoylamino)-5-[3-(methylaminomethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 59285824
methyl [2-oxo-6-(2-propoxyphenyl)-1H-pyridin-3-yl] carbonate
CID 23167499

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-[2-[2-(1-methoxyethoxy)ethoxy]phenyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[2-[2-(1-methoxyethoxy)ethoxy]phenyl]-1H-pyrrole-3-carboxamide (CID 67314576) is 2-(carbamoylamino)-5-[2-[2-(1-methoxyethoxy)ethoxy]phenyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[2-[2-(1-methoxyethoxy)ethoxy]phenyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[2-[2-(1-methoxyethoxy)ethoxy]phenyl]-1H-pyrrole-3-carboxamide is COC(C)OCCOc1ccccc1-c1cc(C(N)=O)c(NC(N)=O)[nH]1.
What is the InChIKey of 2-(carbamoylamino)-5-[2-[2-(1-methoxyethoxy)ethoxy]phenyl]-1H-pyrrole-3-carboxamide?
The InChIKey is QOUYTCZBRRNSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5/c1-10(24-2)25-7-8-26-14-6-4-3-5-11(14)13-9-12(15(18)22)16(20-13)21-17(19)23/h3-6,9-10,20H,7-8H2,1-2H3,(H2,18,22)(H3,19,21,23).
What are the key properties of 2-(carbamoylamino)-5-[2-[2-(1-methoxyethoxy)ethoxy]phenyl]-1H-pyrrole-3-carboxamide?
2-(carbamoylamino)-5-[2-[2-(1-methoxyethoxy)ethoxy]phenyl]-1H-pyrrole-3-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 1.66, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-[2-[2-(1-methoxyethoxy)ethoxy]phenyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 67314576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).